PubChemLite - Gdc-0310 (C25H29Cl2FN2O4S)

Structural Information

Molecular Formula

SMILES

C[C@@H](C1=CC(=CC(=C1)Cl)Cl)N2CCC(CC2)COC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C)F

InChI

InChI=1S/C25H29Cl2FN2O4S/c1-15(18-9-19(26)11-20(27)10-18)30-7-5-16(6-8-30)14-34-24-13-23(28)22(12-21(24)17-3-4-17)25(31)29-35(2,32)33/h9-13,15-17H,3-8,14H2,1-2H3,(H,29,31)/t15-/m0/s1

InChIKey

SXOAHIZWCZOILH-HNNXBMFYSA-N

Compound name

5-cyclopropyl-4-[[1-[(1S)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	543.12818	219.8
[M+Na]+	565.11012	232.1
[M+NH4]+	560.15472	225.5
[M+K]+	581.08406	225.0
[M-H]-	541.11362	229.7
[M+Na-2H]-	563.09557	227.5
[M]+	542.12035	226.2
[M]-	542.12145	226.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

543.12818

219.8

[M+Na]+

565.11012

232.1

[M+NH4]+

560.15472

225.5

[M+K]+

581.08406

225.0

[M-H]-

541.11362

229.7

[M+Na-2H]-

563.09557

227.5

[M]+

542.12035

226.2

[M]-

542.12145

226.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Gdc-0310

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe